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Cyanoacetic acid

View entire compound with spectra: 12 NMR, 5 FTIR, 2 Raman, and 4 MS (GC)

Cyanoacetic acid
SpectraBase Compound ID 66vXuumuB13
InChI InChI=1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)
InChIKey MLIREBYILWEBDM-UHFFFAOYSA-N
Mol Weight 85.062 g/mol
Molecular Formula C3H3NO2
Exact Mass 85.016378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8CmdbcBccjj
Name CYANOACETIC-ACID
Compound Number 6I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C3H3NO2
InChI InChI=1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)
InChIKey MLIREBYILWEBDM-UHFFFAOYSA-N
Literature Reference Author M.I.ATTIA,C.HERDEIS,H.BRAEUNER-OSBORNE
Literature Reference Citation MOLECULES,18,10266(2013)
Literature Reference DOI 10.3390/molecules180910266
Molecular Weight 85.062 g/mol
Solvent DMSO-D6
Source File Reference UWIR9171